In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 28th, 2010 | 28 | Yes |
Popular Name: (1S,2R)-N-pentyl-2-[4-(2-pyridyl)piperazine-1-carbonyl]cyclohexanecarboxamide (1S,2R)-N-pentyl-2-[4-(2-pyridyl…
Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
---|---|---|---|---|---|---|---|---|---|---|
Ref Reference (pH 7) | 3.56 | 9.88 | -36.67 | 2 | 6 | 1 | 67 | 387.548 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.56 | 9.55 | -14.69 | 1 | 6 | 0 | 66 | 386.54 | 7 | ↓ |